[4-methyl-3-(morpholin-4-ylmethyl)-5-(trifluoromethoxy)phenyl] carbamate

C14H17F3N2O4 — CID 175535897

IUPAC[4-methyl-3-(morpholin-4-ylmethyl)-5-(trifluoromethoxy)phenyl] carbamate
SMILESCc1c(CN2CCOCC2)cc(OC(N)=O)cc1OC(F)(F)F
InChIInChI=1S/C14H17F3N2O4/c1-9-10(8-19-2-4-21-5-3-19)6-11(22-13(18)20)7-12(9)23-14(15,16)17/h6-7H,2-5,8H2,1H3,(H2,18,20)
InChIKeyIBOYGLJBRLKFLR-UHFFFAOYSA-N
MW334.29 g/mol
LogP2.18
Rot. Bonds4

About [4-methyl-3-(morpholin-4-ylmethyl)-5-(trifluoromethoxy)phenyl] carbamate

[4-methyl-3-(morpholin-4-ylmethyl)-5-(trifluoromethoxy)phenyl] carbamate (PubChem CID 175535897) has the molecular formula C14H17F3N2O4 and a molecular weight of 334.29 g/mol. Its IUPAC name is [4-methyl-3-(morpholin-4-ylmethyl)-5-(trifluoromethoxy)phenyl] carbamate.

Molecular Properties

Compound Name[4-methyl-3-(morpholin-4-ylmethyl)-5-(trifluoromethoxy)phenyl] carbamate
PubChem CID175535897
Molecular FormulaC14H17F3N2O4
Molecular Weight334.29 g/mol
Exact Mass334.11
IUPAC Name[4-methyl-3-(morpholin-4-ylmethyl)-5-(trifluoromethoxy)phenyl] carbamate
SMILESCc1c(CN2CCOCC2)cc(OC(N)=O)cc1OC(F)(F)F
InChIInChI=1S/C14H17F3N2O4/c1-9-10(8-19-2-4-21-5-3-19)6-11(22-13(18)20)7-12(9)23-14(15,16)17/h6-7H,2-5,8H2,1H3,(H2,18,20)
InChIKeyIBOYGLJBRLKFLR-UHFFFAOYSA-N
XLogP2.18
TPSA74.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.29
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;4-[[2-methyl-3-(trifluoromethoxy)phenyl]methyl]morpholine
CID 156721917
[3-chloro-4-methyl-5-(2-morpholin-4-ylethoxy)phenyl] carbamate
CID 175535996
[4-(morpholin-4-ylmethyl)phenyl] carbamate
CID 175493722
1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[4-(morpholin-4-ylmethyl)-2-(trifluoromethoxy)phenyl]methyl]piperazine-1-carboxylate
CID 122530048
3-ethoxy-4-(morpholin-4-ylmethyl)benzamide
CID 68978840
[4-(morpholin-4-ylmethyl)-2-nitrophenyl] carbamate
CID 175104763
[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl] carbamate
CID 174951749
[4-fluoro-3-(trifluoromethoxy)phenyl] carbamate
CID 175536040
ethyl 2-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-2-oxoacetate
CID 117475900
ethane;3-fluoro-4-methyl-5-(morpholin-4-ylmethyl)aniline
CID 177223296
1-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-[[4-(trifluoromethoxy)phenyl]methyl]urea
CID 35973686
ethyl 2-hydroxy-2-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]acetate
CID 117494133

Frequently Asked Questions

What is the IUPAC name of [4-methyl-3-(morpholin-4-ylmethyl)-5-(trifluoromethoxy)phenyl] carbamate?
The IUPAC name of [4-methyl-3-(morpholin-4-ylmethyl)-5-(trifluoromethoxy)phenyl] carbamate (CID 175535897) is [4-methyl-3-(morpholin-4-ylmethyl)-5-(trifluoromethoxy)phenyl] carbamate.
What is the SMILES notation for [4-methyl-3-(morpholin-4-ylmethyl)-5-(trifluoromethoxy)phenyl] carbamate?
The canonical SMILES for [4-methyl-3-(morpholin-4-ylmethyl)-5-(trifluoromethoxy)phenyl] carbamate is Cc1c(CN2CCOCC2)cc(OC(N)=O)cc1OC(F)(F)F.
What is the InChIKey of [4-methyl-3-(morpholin-4-ylmethyl)-5-(trifluoromethoxy)phenyl] carbamate?
The InChIKey is IBOYGLJBRLKFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O4/c1-9-10(8-19-2-4-21-5-3-19)6-11(22-13(18)20)7-12(9)23-14(15,16)17/h6-7H,2-5,8H2,1H3,(H2,18,20).
What are the key properties of [4-methyl-3-(morpholin-4-ylmethyl)-5-(trifluoromethoxy)phenyl] carbamate?
[4-methyl-3-(morpholin-4-ylmethyl)-5-(trifluoromethoxy)phenyl] carbamate has a molecular weight of 334.29 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-3-(morpholin-4-ylmethyl)-5-(trifluoromethoxy)phenyl] carbamate is sourced from PubChem (CID 175535897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).